2,6-二氯-N-苯基苯胺

2,6-二氯-N-苯基苯胺 基本信息
CAS号 15307-93-4 分子式 C12H9Cl2N
分子量 238.11300 精确质量 　237.01100
PSA 　12.03000 LogP 　4.81000
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
15307-93-4
3D弹球模型：
立即前往扯扯看
分子式：
C12H9Cl2N
分子量：
238.11300
中文名称：
2,6-二氯-N-苯基苯胺
英文名称：
2,6-Dichlorodiphenylamine
中文别名：
2,6-二氯-N-苯基苯胺;
2,6-二氯二苯胺;
2,6-二氯联苯胺;
N-苯基-2,6-二氯苯胺
英文别名：
2,6-Dichlorodiphenylamine;
2,6-Dichloro-N-phenylaniline;
2,6-DICHLORODIPHENYLAMINE;
N-(2,6-Dichlorophenyl)aniline;
2,6-dichloro-N-phenylaniline
精确分子量/精确质量：
237.01100
极性分子表面积/PSA：
12.03000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00269648
EINECS：
239-349-0
PubChem：
24878156
InChI：
InChI=1/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H

生产制备方法及用途展开↓

制备方法

1.制法 N-苯基-2,2,6,6-四氯环己亚胺(3):于装有搅拌器、温度基的反应瓶中,加入2,2,6,6-四氯环己酮(2)100g(0.424mol),苯胺71g(0.763mol),冰醋酸200mL,于45～50℃搅拌反应6h。冷至室温后,慢慢倒入300mL冰水中,分出油层。水层用甲苯提取(50mL×3),合并油层与甲苯层,依次用饱和碳酸氢钠、饱和食盐水、水洗涤,无水硫酸钠干燥。减压回收溶剂,得褐色油状物,冷后固化。用甲醇重结晶,活性炭脱色,冷后析出黄色结晶。抽滤,干燥,得N-苯基-2,2,6,6-四氯环己亚胺(3)123g,收率93.5%,mp70～73℃。N-苯基-2,6-二氯苯胺(1):于装有搅拌器、温度计的反应瓶中,加入上述化合物(3)100g(0.322mol),DMF10mL,于135～137℃搅拌反应0.5h。冷至室温,加入甲苯300mL,水150mL,室温搅拌30min。分出有机层,水层有机层,水层用甲苯提取,合并有机层,水洗至中性,无水硫酸钠干燥。减压蒸馏溶剂,剩余物冷却后固化。用甲醇重结晶,活性炭脱色,冷后析出固体。过滤,干燥,得黄色结晶性粉末N-苯基-2,6-二氯苯胺(1)74g,收率96.5%,mp51.5～53℃,文献值49.5～50.7℃。

合成制备方法

1.制法

         

N-苯基-2,2,6,6-四氯环己亚胺(3)：于装有搅拌器、温度基的反应瓶中，加入2,2,6,6-四氯环己酮（2）100g(0.424mol),苯胺71g(0.763mol),冰醋酸200mL，于45～50℃搅拌反应6h。冷至室温后，慢慢倒入300mL冰水中，分出油层。水层用甲苯提取(50mL×3),合并油层与甲苯层，依次用饱和碳酸氢钠、饱和食盐水、水洗涤，无水硫酸钠干燥。减压回收溶剂，得褐色油状物，冷后固化。用甲醇重结晶，活性炭脱色，冷后析出黄色结晶。抽滤，干燥，得N-苯基-2,2,6,6-四氯环己亚胺(3)123g,收率93.5%，mp70～73℃。N-苯基-2,6-二氯苯胺(1):于装有搅拌器、温度计的反应瓶中，加入上述化合物(3)100g（0.322mol），DMF10mL，于135～137℃搅拌反应0.5h。冷至室温，加入甲苯300mL，水150mL，室温搅拌30min。分出有机层，水层有机层，水层用甲苯提取，合并有机层，水洗至中性，无水硫酸钠干燥。减压蒸馏溶剂，剩余物冷却后固化。用甲醇重结晶，活性炭脱色，冷后析出固体。过滤，干燥，得黄色结晶性粉末N-苯基-2,6-二氯苯胺(1)74g,收率96.5%，mp51.5～53℃,文献值49.5～50.7℃。[1]

用途简介

双氯灭酸的中间体

用途

双氯灭酸的中间体

物化性质展开↓

外观与性状：
灰白色至奶油色结晶固体
密度：
1.327 g/cm3
熔点：
50-53 °C(lit.)
沸点：
309.8ºC at 760 mmHg
闪点：
>230 °F
折射率：
1.649
蒸汽压：
0.000625mmHg at 25°C
存储条件/存储方法：

密闭、阴凉、干燥处

稳定性相关：

按规定使用不会分解，避氧化剂

其它信息：

1.       性状：浅棕色固体

2.       密度（g/mL,25℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：50-53

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,0.4Pa）：109-111

7.       折射率：未确定

8.       闪点（ºC）：110

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：未确定

安全信息展开↓

海关代码：
2921440000
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S36
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 108-86-1

    溴代苯

  • +

  • 608-31-1

    2,6-二氯苯胺

  • →

    ~94%

  • 15307-93-4

    2,6-二氯-N-苯基苯胺

  • 87-65-0

    2,6-二氯苯酚

  • +

  • 527-60-6

    2,4,6-三甲酚

  • +

  • 7462-76-2

    2-chloro-2-phenylacetamide

  • →

    ~89%

  • 15307-93-4

    2,6-二氯-N-苯基苯胺

  • 123066-65-9

    2,2,6,6-tetrachloro-N-phenylcyclohexan-1-imine

  • →

    ~83%

  • 15307-93-4

    2,6-二氯-N-苯基苯胺

化学图谱

  1. N-苯基-2,6-二氯苯胺红外图谱(IR1)

  2. N-苯基-2,6-二氯苯胺红外图谱(IR2)

  3. N-苯基-2,6-二氯苯胺质谱(MS)

  4. N-苯基-2,6-二氯苯胺核磁图(13CNMR)

  5. N-苯基-2,6-二氯苯胺核磁图(1HNMR)

上一页 1/4 下一页

MSDS 展开↓

  2,6-Dichlorodiphenylamine      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        2,6-Dichlorodiphenylamine    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        2,6-Dichlorodiphenylamine    
  Percent:        >98.0%(GC)    
  CAS Number:        15307-93-4    
  Synonyms:        N-(2,6-Dichlorophenyl)aniline    
    C12H9Cl2N
  Chemical Formula:
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  2,6-Dichlorodiphenylamine
Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        White - Greyish yellow green    
    No data available
  Odour:
  2,6-Dichlorodiphenylamine
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  pH: No data available
  Melting point/freezing point:51°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]
  Soluble:        Methanol    
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
  2,6-Dichlorodiphenylamine
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2921440000

概述：
2921440000. 二苯胺及其衍生物以及它们的盐. 增值税率:17.0%. 退税率:17.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2921440000. diphenylamine and its derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：65.41

2、   摩尔体积（cm3/mol）：179.3        

3、   等张比容（90.2K）：472.3

4、   表面张力（dyne/cm）：48.0

5、   极化率：25.93

6、   介电常数：未确定

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积12

7.重原子数量:15

8.表面电荷:0

9.复杂度:182

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多

  • 123066-65-9

    2,2,6,6-tetrachloro-N-phenylcyclohexan-1-imine

  • 87-65-0

    2,6-二氯苯酚

  • 527-60-6

    2,4,6-三甲酚

  • 7462-76-2

    2-chloro-2-phenylacetamide

  • 108-86-1

    溴代苯

下游产品

更多

  • 24542-74-3

    1-(2,6-二氯苯基)吲哚-2,3-二酮

  • 15308-01-7

    N-(2,6-二氯苯基)-N-苯基-氯乙酰胺

  • 15307-79-6

    双氯芬酸钠

  • 15307-86-5

    双氯芬酸

  • 15362-40-0

    1-(2,6-二氯苯基)-1,3-二氢-2H-吲哚-2-酮

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